{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,11]],"date-time":"2026-04-11T03:50:04Z","timestamp":1775879404358,"version":"3.50.1"},"reference-count":61,"publisher":"Wiley","issue":"3","license":[{"start":{"date-parts":[[2026,2,8]],"date-time":"2026-02-08T00:00:00Z","timestamp":1770508800000},"content-version":"vor","delay-in-days":7,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,2,1]],"date-time":"2026-02-01T00:00:00Z","timestamp":1769904000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["aces.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry \u0097 An Asian Journal"],"published-print":{"date-parts":[[2026,2]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    Thermally activated delayed fluorescence (TADF) materials hold the key to next\u2010generation optoelectronics by converting both singlet and triplet excitons into light via rapid reverse intersystem crossing (RISC). However, designing chromophores that simultaneously feature a small singlet\u2010triplet gap (\u0394\n                    <jats:italic>E<\/jats:italic>\n                    <jats:sub>ST<\/jats:sub>\n                    ), strong charge\u2010transfer (CT) character, and high photoluminescence efficiency remains elusive, as conventional donor\u2013acceptor scaffolds suffer from nonradiative losses. Here, we harness through\u2010space charge transfer (TSCT) architectures, which spatially separate donor and acceptor units to suppress vibrational quenching and boost RISC, to overcome this trade\u2010off. We pair an\n                    <jats:italic>N<\/jats:italic>\n                    \u2010(4\u2010methylphenyl)\u20101,8\u2010naphthalimide acceptor with a suite of heteroatom\u2010modified 9,9\u2010dimethyl\u20109,10\u2010dihydroacridine donors (D\u2013A), including a dual\u2010donor (D\u2013A\u2013D) analogue, and systematically tune electronic coupling and molecular rigidity. To evaluate the photophysical implications of these structural modifications, we performed quantum\u2010chemical analyses of ground and excited\u2010state parameters (S\n                    <jats:sub>1<\/jats:sub>\n                    , T\n                    <jats:sub>1<\/jats:sub>\n                    , \u0394\n                    <jats:italic>E<\/jats:italic>\n                    <jats:sub>ST<\/jats:sub>\n                    , \u0394\n                    <jats:italic>E<\/jats:italic>\n                    <jats:sub>HL<\/jats:sub>\n                    ), along with natural transition orbital and energy decomposition studies to probe the nature of electronic transitions. Spin\u2010orbit coupling constants and ISC\/RISC rate estimates were calculated to assess the excited\u2010state mechanism, while electron\u2010hole correlation metrics quantified the extent of charge separation. Together, these descriptors offer a comprehensive understanding of how donor identity, spatial arrangement, and conjugation control TADF behavior.\n                  <\/jats:p>","DOI":"10.1002\/asia.70622","type":"journal-article","created":{"date-parts":[[2026,2,8]],"date-time":"2026-02-08T18:02:36Z","timestamp":1770573756000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Quantum Chemical Insights Into Tunable Charge Transfer and Singlet\u2013Triplet Splitting in TADF Emitters"],"prefix":"10.1002","volume":"21","author":[{"given":"Nisha","family":"Job","sequence":"first","affiliation":[{"name":"Department of Chemistry Indian Institute of Technology Guwahati  Guwahati Assam India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Arka Pratim","family":"Ghosh","sequence":"additional","affiliation":[{"name":"Department of Chemistry Indian Institute of Technology Guwahati  Guwahati Assam India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1445-4631","authenticated-orcid":false,"given":"Kalishankar","family":"Bhattacharyya","sequence":"additional","affiliation":[{"name":"Department of Chemistry Indian Institute of Technology Guwahati  Guwahati Assam 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